3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine

C8H8ClNO — CID 57068705

IUPAC3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine
SMILES[H]/N=C1\C(Cl)=COC2=CCCC21
InChIInChI=1S/C8H8ClNO/c9-6-4-11-7-3-1-2-5(7)8(6)10/h3-5,10H,1-2H2/b10-8-
InChIKeyZMGUQNGUVHGVGK-NTMALXAHSA-N
MW169.61 g/mol
LogP2.41
Rot. Bonds

About 3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine

3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine (PubChem CID 57068705) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine.

Molecular Properties

Compound Name3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine
PubChem CID57068705
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine
SMILES[H]/N=C1\C(Cl)=COC2=CCCC21
InChIInChI=1S/C8H8ClNO/c9-6-4-11-7-3-1-2-5(7)8(6)10/h3-5,10H,1-2H2/b10-8-
InChIKeyZMGUQNGUVHGVGK-NTMALXAHSA-N
XLogP2.41
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-dimethyl-2-propan-2-ylidenecyclohept-3-en-1-imine
CID 168914337
4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 67135612
3-chlorocyclohex-3-ene-1,2-diol
CID 67478203
(1S,2S)-3-chlorocyclohex-3-ene-1,2-diol
CID 67478154
(1R)-2-chlorocyclopent-2-en-1-amine;hydrochloride
CID 118540639
6,6a-dihydro-5H-cyclopenta[c]pyrrole-1,3-dione
CID 89258298
(6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione
CID 134873151
bicyclo[3.1.0]hex-4-en-2-imine
CID 163938987
(1-amino-5,6-diimino-3,7-dimethyl-1,2,3,4,4a,8a-hexahydronaphthalen-2-yl)azanium
CID 163615925
4a,5-dimethyl-3-(3-methylbut-2-en-2-yl)-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587135
6-chloro-1-fluoro-5-methylcyclohexene
CID 90876325
4-chlorocyclohex-2-en-1-imine
CID 123430240

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine?
The IUPAC name of 3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine (CID 57068705) is 3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine.
What is the SMILES notation for 3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine?
The canonical SMILES for 3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine is [H]/N=C1\C(Cl)=COC2=CCCC21.
What is the InChIKey of 3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine?
The InChIKey is ZMGUQNGUVHGVGK-NTMALXAHSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-6-4-11-7-3-1-2-5(7)8(6)10/h3-5,10H,1-2H2/b10-8-.
What are the key properties of 3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine?
3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine has a molecular weight of 169.61 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dihydro-4aH-cyclopenta[b]pyran-4-imine is sourced from PubChem (CID 57068705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).